methyl 1-[(3-chlorophenyl)carbamoyl]-2-(4-cyanophenyl)-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-[(3-chlorophenyl)carbamoyl]-2-(4-cyanophenyl)-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-[(3-chlorophenyl)carbamoyl]-2-(4-cyanophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylate CAS Name: 1-[(3-chloroanilino)-oxomethyl]-2-(4-cyanophenyl)-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-chlorophenyl)carbamoyl]-2-(4-cyanophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 1-[(3-chlorophenyl)carbamoyl]-2-(4-cyanophenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C25H26ClN5O4 MolecularWeight: 495.95804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(N(C1C2=CC=C(C=C2)C#N)C(=O)NC3=CC(=CC=C3)Cl)C(=O)N4CCNCC4

Isomeric SMILES

COC(=O)C1CC(N(C1C2=CC=C(C=C2)C#N)C(=O)NC3=CC(=CC=C3)Cl)C(=O)N4CCNCC4

InChI

InChI=1S/C25H26ClN5O4/c1-35-24(33)20-14-21(23(32)30-11-9-28-10-12-30)31(22(20)17-7-5-16(15-27)6-8-17)25(34)29-19-4-2-3-18(26)13-19/h2-8,13,20-22,28H,9-12,14H2,1H3,(H,29,34)